Enhancing the d/p‐Band Center Proximity with Amorphous‐Crystalline Interface Coupling for Boosted pH‐Robust Water Electrolysis
Yaoda Liu, Thangavel Sakthivel, Feng Hu, Yahui Tian, Dongshuang Wu, Edison Huixiang Ang, Hang Liu, Shengwu Guo, Shengjie Peng, Zhengfei Dai
Abstract
Abstract Rationalizing non‐precious pH‐robust electrocatalysts is a crucial priority and required for multi‐scenario hydrogen production customization. Herein, an amorphous–crystalline CoBO x /NiSe heterostructure is theoretically profiled and constructed for efficient and pH‐robust water electrolysis. The crystalline lattice confinement induces a CoCo bond shortening and a B‐site delocalization on amorphous CoBO x , resulting in a decreased d‐p band center difference (Δε d‐p ) toward the balanced intermediates adsorption/desorption. Accordingly, the CoBO x /NiSe heterostructure exhibits efficient and robust hydrogen/oxygen evolution reaction (HER/OER) catalytic activity in different electrolytes. Of particular note, it achieves ultralow overpotentials in both the beyond‐Pt HER (14.5 mV) and OER (229.1 mV) at 10 mA cm −2 under an alkaline electrolyte, and reaches an industrial‐level OER current density of 2 A cm −2 . Water electrolysis is stably delivered with a low η 10 voltage of 1.48 V. The incorporation of such d‐p orbitals at the amorphous–crystalline interface puts forward new opportunities in rationally designing advanced non‐precious electrocatalysts for water electrolysis.